Large-Sized Au Core-Shell Clusters ( = 61-66): Enduring Structure of the Icosahedral Au Core.

Large-sized gold Au anion clusters exhibit structural characteristics drastically different from other coinage metals. Typically, coinage metal nanoclusters exhibit a 13-atom icosahedral core at the cluster size of 55. Gold clusters, contrarily, do not entail this core until the size reaches 60.

How O-Binding Affects Structural Evolution of Medium Even-Sized Gold Clusters Au ( = 20-34).

We report the first joint anion photoelectron spectroscopy and theoretical study on how O-binding affects the structures of medium even-sized gold clusters, Au ( = 20-34), a special size region that entails a variety of distinct structures. Under the temperature conditions in the current photoelectron spectroscopy experiment, O-bound gold clusters were observed only for = 22-24 and 34. Nevertheless, O binding with the clusters in the size range of = 20-34 can be still predicted based on the obtained global-minimum structures.